Geometry & MOs

Info

ID:	286908
PubChem CID:	104223482
Reduced:	FON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	253.041818
ΔH_f, kcal/mol:	-18.09
Dipole, Da:	4.31
IP(EA), eV:	-9.42(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-chloro-3-fluorophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)OC2=NC=C(C=N2)CNC

DOS

IR

Vibrations